Respected Wien2k users I am studying pressure dependent study for the first time. On increasing pressure from 0 to 30 GPa with a step of 10GPa, I got almost same unit cell enrergy for 0, 10, 20, 30 GPa. Why it is same ? May anyone explain . Also band gap should increase with increase in pressure but for one of my material (AB2C4 spinel compound) after showing increasing trend it starts decreasing slightly after 20 GPa. Why this is not fallowing trend ? Kindly guide.
Thank you Zaid
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